Nonadiabatic Dynamics of 1,3-Cyclohexadiene by Curvature-Driven Coherent Switching with Decay of Mixing.

Zhang, Linyao; Shu, Yinan; Bhaumik, Suman; Chen, Xiye; Sun, Shaozeng; Huang, Yudong; Truhlar, Donald G

Zhang, Linyao; Shu, Yinan; Bhaumik, Suman; Chen, Xiye; Sun, Shaozeng; Huang, Yudong; Truhlar, Donald G.

Afiliación

Zhang L; School of Energy Science and Engineering, Harbin Institute of Technology, Harbin 150001, P. R. China.
Shu Y; School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, P. R. China.
Bhaumik S; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Chen X; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Sun S; School of Energy Science and Engineering, Harbin Institute of Technology, Harbin 150001, P. R. China.
Huang Y; School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, P. R. China.
Truhlar DG; School of Energy Science and Engineering, Harbin Institute of Technology, Harbin 150001, P. R. China.

J Chem Theory Comput ; 18(12): 7073-7081, 2022 Dec 13.

Article en En | MEDLINE | ID: mdl-36350795

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article